| Triton X-100/甲苯/水三元体系界面张力的耗散颗粒动力学模拟 |
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| 引用本文： | 靖波,张健,吕鑫,朱玥珺,张凤久,姜伟,谭业邦.Triton X-100/甲苯/水三元体系界面张力的耗散颗粒动力学模拟[J].物理化学学报,2011,27(1):65-70. |
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| 作者姓名： | 靖波 张健 吕鑫 朱玥珺 张凤久 姜伟 谭业邦 |
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| 作者单位： | 1. State Key Laboratory of Offshore Oil Exploitation, China National Offshore Oil Corporation (CNOOC) Research Institute, Beijing 100027, P. R. China;
2. CNOOC Limited, Beijing 100010, P. R. China;
3. CNOOC, Beijing 100010, P. R. China;
4. School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, P. R. China |
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| 基金项目： | 国家科技重大专项，国家高技术研究发展计划(863) |
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| 摘 要： | 采用耗散颗粒动力学方法在介观层次上模拟了非离子表面活性剂Triton X-100 在油/水界面上的分布行为, 并把用于油/水二元体系界面张力的计算方法拓展到含表面活性剂的三元体系. 利用该方法可以得到与实验数值吻合的界面张力数据. 另外, 模拟结果直观展示了表面活性剂界面张力与界面密度的关系, 为表面活性剂复配增效理论提供了依据. 该模拟方法给出的微观信息可以为驱油体系配方筛选和表面活性剂有效应用提供指导.
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| 关 键 词： | 耗散颗粒动力学 分子模拟 界面张力 表面活性剂 界面密度 |
| 收稿时间： | 2010-09-08 |
| 修稿时间： | 2010-09-28 |
Dissipative Particle Dynamics Simulation of Interface Tension in the Ternary Triton X-100/Toluene/H2O System |
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| JING Bo,ZHANG Jian,L Xin,ZHU Yue-Jun,ZHANG Feng-Jiu,JIANG Wei,TAN Ye-Bang.Dissipative Particle Dynamics Simulation of Interface Tension in the Ternary Triton X-100/Toluene/H2O System[J].Acta Physico-Chimica Sinica,2011,27(1):65-70. |
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| Authors: | JING Bo ZHANG Jian L Xin ZHU Yue-Jun ZHANG Feng-Jiu JIANG Wei TAN Ye-Bang |
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| Affiliation: | 1. State Key Laboratory of Offshore Oil Exploitation, China National Offshore Oil Corporation (CNOOC) Research Institute, Beijing 100027, P. R. China;
2. CNOOC Limited, Beijing 100010, P. R. China;
3. CNOOC, Beijing 100010, P. R. China;
4. School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, P. R. China |
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| Abstract: | The assembly behavior of the nonionic surfactant Triton X-100 at the water/oil interface was studied at the mesoscopic level using a dissipative particle dynamics simulation.We extended the calculation method for interfacial tension from a binary water/oil system to a ternary system with surfactants.In particular,the simulated results of interfacial tension that were chosen for illustration are in excellent agreement with the experimental results.Additionally,we discuss the relationship between interfacial tension and interfacial density,which supports the synergistic theory of mixed surfactants.The microscopic information obtained from the simulated method will opens another door for the selection and application of surfactants in enhanced oil recovery. |
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| Keywords: | Dissipative particle dynamics Molecular simulation Interfacial tension Surfactant Interfacial density |
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